Chemical ID: 4713835

c1cc(cc(c1)Cl)c2cc(c(nc2)Cl)C#N
Chemical ID:
4713835
Name [?]:
2-chloro-5-(3-chlorophenyl)-pyridine-3-carbonitrile
SMILES [?]:
c1cc(cc(c1)Cl)c2cc(c(nc2)Cl)C#N
InChi [?]:
InChI=1/C12H6Cl2N2/c13-11-3-1-2-8(5-11)10-4-9(6-15)12(14)16-7-10/h1-5,7H
InChi Info:
AuxInfo=1/0/N:1,2,6,9,4,15,13,3,10,8,5,11,7,14,16,12/rA:16nCCCCCCClCCCCNCClCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;d8s12;s11;s10;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6Cl2N2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.04969
Area:429.174
Solvation:-1.67966
Coulombic:-10.7086
Bond Count [?]
All:17
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:249.095
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.77
LogP (Chemaxon):3.64

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